3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide

C14H22N2O2S — CID 66223813

IUPAC3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSCC(C)(C)N
InChIInChI=1S/C14H22N2O2S/c1-14(2,15)10-19-9-8-13(17)16-11-6-4-5-7-12(11)18-3/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyWDASHZCNHUFBIH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.49
Rot. Bonds7

About 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide

3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 66223813) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID66223813
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSCC(C)(C)N
InChIInChI=1S/C14H22N2O2S/c1-14(2,15)10-19-9-8-13(17)16-11-6-4-5-7-12(11)18-3/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyWDASHZCNHUFBIH-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 81228987
(2R)-2-amino-3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 61142080
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide (CID 66223813) is 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSCC(C)(C)N.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is WDASHZCNHUFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,15)10-19-9-8-13(17)16-11-6-4-5-7-12(11)18-3/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide?
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 66223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).